[4-[4-(2-methylpropyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[4-(2-methylpropyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(4-isobutylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[4-(2-methylpropyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[4-(2-methylpropyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(4-isobutylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidino-methanone Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H30N2O4S/c1-18(2)15-19-5-8-22(9-6-19)31(28,29)26-13-14-30-23-10-7-20(16-21(23)17-26)24(27)25-11-3-4-12-25/h5-10,16,18H,3-4,11-15,17H2,1-2H3